2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid

C13H14N4O4 — CID 68871552

IUPAC2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid
SMILESNC(=O)c1[nH]c(COc2ccc(CC(=O)O)cc2)nc1N
InChIInChI=1S/C13H14N4O4/c14-12-11(13(15)20)16-9(17-12)6-21-8-3-1-7(2-4-8)5-10(18)19/h1-4H,5-6,14H2,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyNHWYCHHXRYEPRX-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.30
Rot. Bonds6

About 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid

2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid (PubChem CID 68871552) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid
PubChem CID68871552
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid
SMILESNC(=O)c1[nH]c(COc2ccc(CC(=O)O)cc2)nc1N
InChIInChI=1S/C13H14N4O4/c14-12-11(13(15)20)16-9(17-12)6-21-8-3-1-7(2-4-8)5-10(18)19/h1-4H,5-6,14H2,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyNHWYCHHXRYEPRX-UHFFFAOYSA-N
XLogP0.30
TPSA144.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
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CID 18958983
2-(4-carbamoyloxyphenyl)acetic acid
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2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
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2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
CID 117094930
4-(1H-benzimidazol-2-ylmethoxy)benzamide
CID 142600756
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
CID 68666970
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid (CID 68871552) is 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid is NC(=O)c1[nH]c(COc2ccc(CC(=O)O)cc2)nc1N.
What is the InChIKey of 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid?
The InChIKey is NHWYCHHXRYEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-12-11(13(15)20)16-9(17-12)6-21-8-3-1-7(2-4-8)5-10(18)19/h1-4H,5-6,14H2,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid?
2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-5-carbamoyl-1H-imidazol-2-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 68871552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).